5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine

C95H109Cl4N35 — CID 157463326

About 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine

5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine (PubChem CID 157463326) has the molecular formula C95H109Cl4N35 and a molecular weight of 1882.97 g/mol. Its IUPAC name is 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
• PubChem CID: 157463326
• Molecular Formula: C95H109Cl4N35
• Molecular Weight: 1882.97 g/mol
• Exact Mass: 1879.84
• IUPAC Name: 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
• SMILES: CCC1CN(c2ccc(C)cn2)CCC1N(C)c1nc(Nc2ccn3c(C)cnc3c2)ncc1Cl.CCC1CN(c2ccc(C)nn2)CCC1N(C)c1nc(Nc2ccn3c(C)cnc3c2)ncc1Cl.Cc1ccc(N2CCC(N(C)c3nc(Nc4ccc5ncnn5c4)ncc3Cl)CC2)nc1.Cc1ccc(N2CCC(Nc3nc(Nc4ccn5c(C)cnc5c4)ncc3Cl)CC2)nn1
• InChI: InChI=1S/C26H31ClN8.C25H30ClN9.2C22H24ClN9/c1-5-19-16-34(23-7-6-17(2)13-28-23)10-9-22(19)33(4)25-21(27)15-30-26(32-25)31-20-8-11-35-18(3)14-29-24(35)12-20;1-5-18-15-34(22-7-6-16(2)31-32-22)10-9-21(18)33(4)24-20(26)14-28-25(30-24)29-19-8-11-35-17(3)13-27-23(35)12-19;1-15-3-5-19(24-11-15)31-9-7-17(8-10-31)30(2)21-18(23)12-25-22(29-21)28-16-4-6-20-26-14-27-32(20)13-16;1-14-3-4-19(30-29-14)31-8-5-16(6-9-31)26-21-18(23)13-25-22(28-21)27-17-7-10-32-15(2)12-24-20(32)11-17/h6-8,11-15,19,22H,5,9-10,16H2,1-4H3,(H,30,31,32);6-8,11-14,18,21H,5,9-10,15H2,1-4H3,(H,28,29,30);3-6,11-14,17H,7-10H2,1-2H3,(H,25,28,29);3-4,7,10-13,16H,5-6,8-9H2,1-2H3,(H2,25,26,27,28)
• InChIKey: BUELAZOVQKWTDL-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 345.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.97
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine (CID 157463326) is 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine is CCC1CN(c2ccc(C)cn2)CCC1N(C)c1nc(Nc2ccn3c(C)cnc3c2)ncc1Cl.CCC1CN(c2ccc(C)nn2)CCC1N(C)c1nc(Nc2ccn3c(C)cnc3c2)ncc1Cl.Cc1ccc(N2CCC(N(C)c3nc(Nc4ccc5ncnn5c4)ncc3Cl)CC2)nc1.Cc1ccc(N2CCC(Nc3nc(Nc4ccn5c(C)cnc5c4)ncc3Cl)CC2)nn1.

What is the InChIKey of 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?

The InChIKey is BUELAZOVQKWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN8.C25H30ClN9.2C22H24ClN9/c1-5-19-16-34(23-7-6-17(2)13-28-23)10-9-22(19)33(4)25-21(27)15-30-26(32-25)31-20-8-11-35-18(3)14-29-24(35)12-20;1-5-18-15-34(22-7-6-16(2)31-32-22)10-9-21(18)33(4)24-20(26)14-28-25(30-24)29-19-8-11-35-17(3)13-27-23(35)12-19;1-15-3-5-19(24-11-15)31-9-7-17(8-10-31)30(2)21-18(23)12-25-22(29-21)28-16-4-6-20-26-14-27-32(20)13-16;1-14-3-4-19(30-29-14)31-8-5-16(6-9-31)26-21-18(23)13-25-22(28-21)27-17-7-10-32-15(2)12-24-20(32)11-17/h6-8,11-15,19,22H,5,9-10,16H2,1-4H3,(H,30,31,32);6-8,11-14,18,21H,5,9-10,15H2,1-4H3,(H,28,29,30);3-6,11-14,17H,7-10H2,1-2H3,(H,25,28,29);3-4,7,10-13,16H,5-6,8-9H2,1-2H3,(H2,25,26,27,28).

What are the key properties of 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?

5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine has a molecular weight of 1882.97 g/mol, XLogP of 17.68, 22 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157463326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).